BioLiP

PDB

BioLiP

PDB CCD ID:

LBZ

Number of entries in BioLiP:

Chemical formula:

C13 H18 N2 O3

InChI:

InChI=1S/C13H18N2O3/c14-11(13(17)18)8-4-5-9-15-12(16)10-6-2-1-3-7-10/h1-3,6-7,11H,4-5,8-9,14H2,(H,15,16)(H,17,18)/t11-/m0/s1

InChIKey:

KODLJWKGAKBGOB-NSHDSACASA-N

SMILES:

Software	SMILES
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)NCCCC[C@@H](C(=O)O)N
OpenEye OEToolkits 2.0.7	c1ccc(cc1)C(=O)NCCCCC(C(=O)O)N
CACTVS 3.385	N[CH](CCCCNC(=O)c1ccccc1)C(O)=O
CACTVS 3.385	N[C@@H](CCCCNC(=O)c1ccccc1)C(O)=O

Name:

(2~{S})-2-azanyl-6-benzamido-hexanoic acid

ZINC:

ZINC000001653057

Reference:

Chengxin Zhang, Xi Zhang, Lydia Freddolino, and Yang Zhang. BioLiP2: an updated structure database for biologically relevent ligand-protein interactions, Nucleic Acids Research, gkad630 (2023).

Jianyi Yang, Ambrish Roy, and Yang Zhang. BioLiP: a semi-manually curated database for biologically relevant ligand-protein interactions, Nucleic Acids Research, 41: D1096-D1103 (2013) (download the PDF file).